Using VASP

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Berry phase

Last post by admin « Tue Oct 07, 2008 2:36 pm
Replies: 3
by Amritendu » Tue Jun 24, 2008 3:14 pm

3 Replies

4756 Views

Last post by admin
Tue Oct 07, 2008 2:36 pm
Atomic Energy of P

Last post by admin « Tue Oct 07, 2008 2:31 pm
Replies: 3
by Oscar_rp » Mon Oct 06, 2008 2:58 pm

3 Replies

4173 Views

Last post by admin
Tue Oct 07, 2008 2:31 pm
Bulk silver - lattice constant calculations

Last post by admin « Tue Oct 07, 2008 2:19 pm
Replies: 1
by physicalattraction » Mon Oct 06, 2008 3:48 pm

1 Replies

5010 Views

Last post by admin
Tue Oct 07, 2008 2:19 pm
convergence problem in vasp.4.6.35

Last post by deltz « Sun Oct 05, 2008 8:31 am
Replies: 1
by deltz » Thu Oct 02, 2008 12:00 pm

1 Replies

3227 Views

Last post by deltz
Sun Oct 05, 2008 8:31 am
Total charge

Last post by forsdan « Fri Oct 03, 2008 9:54 pm
Replies: 1
by jhlee » Fri Oct 03, 2008 9:36 pm

1 Replies

3263 Views

Last post by forsdan
Fri Oct 03, 2008 9:54 pm
Technical question with P%PSPRNL and P%WPS

Last post by ykent « Thu Oct 02, 2008 9:46 pm
Replies: 1
by ykent » Thu Oct 02, 2008 8:26 pm

1 Replies

2962 Views

Last post by ykent
Thu Oct 02, 2008 9:46 pm
Bulk moduli

Last post by forsdan « Wed Oct 01, 2008 4:39 pm
Replies: 3
by goja25 » Tue Sep 30, 2008 2:12 pm

3 Replies

5822 Views

Last post by forsdan
Wed Oct 01, 2008 4:39 pm
Ex,Ec instead of Exc

Last post by admin « Fri Sep 26, 2008 12:03 pm
Replies: 1
by Eduard » Fri Sep 26, 2008 9:39 am

1 Replies

3331 Views

Last post by admin
Fri Sep 26, 2008 12:03 pm
about nudged elastic band method?

Last post by rzhuang « Fri Sep 26, 2008 2:10 am
Replies: 2
by rzhuang » Thu Sep 25, 2008 3:02 am

2 Replies

3540 Views

Last post by rzhuang
Fri Sep 26, 2008 2:10 am
IDIPOL=4

Last post by Agalya « Thu Sep 25, 2008 9:45 pm
Replies: 2
by Agalya » Thu Aug 07, 2008 4:57 pm

2 Replies

4067 Views

Last post by Agalya
Thu Sep 25, 2008 9:45 pm
Alpha Z

Last post by admin « Thu Sep 25, 2008 9:42 am
Replies: 1
by physicsdude » Fri Sep 19, 2008 10:51 pm

1 Replies

3403 Views

Last post by admin
Thu Sep 25, 2008 9:42 am
Is it possible to calculate surface polarity using Berry phase calculations

Last post by fatihgsen « Wed Sep 24, 2008 8:54 pm
Replies: 2
by fatihgsen » Tue Sep 09, 2008 9:17 pm

2 Replies

4277 Views

Last post by fatihgsen
Wed Sep 24, 2008 8:54 pm
Constrained Moment Calculations

Last post by tony2006 « Tue Sep 23, 2008 11:14 am
Replies: 1
by wbutler » Wed Aug 03, 2005 4:35 am

1 Replies

4488 Views

Last post by tony2006
Tue Sep 23, 2008 11:14 am
Magnetic moment

Last post by admin « Tue Sep 23, 2008 10:06 am
Replies: 3
by goja25 » Thu Sep 18, 2008 11:21 am

3 Replies

7285 Views

Last post by admin
Tue Sep 23, 2008 10:06 am
Vacuum potential for carbon nanotubes

Last post by admin « Mon Sep 22, 2008 11:07 am
Replies: 3
by vasplover » Wed Sep 17, 2008 7:32 pm

3 Replies

4349 Views

Last post by admin
Mon Sep 22, 2008 11:07 am
aligning DOS plots

Last post by admin « Mon Sep 22, 2008 11:06 am
Replies: 3
by rgc » Fri Sep 19, 2008 12:14 pm

3 Replies

3742 Views

Last post by admin
Mon Sep 22, 2008 11:06 am
How to control the INCAR tags to get the accurate DOSCAR in interface structure?

Last post by admin « Fri Sep 19, 2008 12:14 pm
Replies: 1
by ssaicoda » Fri Sep 19, 2008 1:21 am

1 Replies

3185 Views

Last post by admin
Fri Sep 19, 2008 12:14 pm
transition state problem

Last post by admin « Wed Sep 17, 2008 2:53 pm
Replies: 1
by rghomari » Tue Sep 16, 2008 9:34 pm

1 Replies

2821 Views

Last post by admin
Wed Sep 17, 2008 2:53 pm
Convergence problem

Last post by Jiaye Li « Tue Sep 16, 2008 3:41 am
Replies: 2
by Jiaye Li » Fri Sep 12, 2008 1:55 am

2 Replies

3737 Views

Last post by Jiaye Li
Tue Sep 16, 2008 3:41 am
the same irreducible k-points when setting different KPOINTS?

Last post by linglin « Fri Sep 12, 2008 12:16 pm
Replies: 2
by linglin » Fri Sep 12, 2008 2:37 am

2 Replies

3814 Views

Last post by linglin
Fri Sep 12, 2008 12:16 pm

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